SCHEMBL4780573

SCHEMBL4780573

CCc1cccc(C(=O)OOC(=O)c2cccc(CC)c2CC)c1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
TSHR P16473 5/20 0.44
ALDH1A1 P00352 6/20 0.41
CLCN2 P51788 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
PARP1 P09874 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31530859 1.00 GABRA1 (0.45) GABRA1GABRB2TSHRALDH1A1CLCN2
SCHEMBL28680548 0.86 ALDH1A1 (0.53) GABRA1GABRB2TSHRALDH1A1CLCN2
SCHEMBL10563836 0.85 GABRA1 (0.42) GABRA1GABRB2TSHRALDH1A1CLCN2
SCHEMBL14958374 0.85 TSHR (0.66) TSHRALDH1A1TDP1L3MBTL1LMNA
SCHEMBL6464901 0.83 TSHR (0.52) GABRA1GABRB2TSHRALDH1A1CLCN2
SCHEMBL28233341 0.83 ALDH1A1 (0.40) GABRA1GABRB2TSHRALDH1A1CLCN2
SCHEMBL1538548 0.82 GABRA1 (0.39) GABRA1GABRB2TSHRALDH1A1CLCN2
SCHEMBL6257154 0.82 CLCN2 (0.41) GABRA1GABRB2TSHRALDH1A1CLCN2
SCHEMBL9199285 0.82 GABRA1 (0.39) GABRA1GABRB2TSHRALDH1A1CLCN2
SCHEMBL10915002 0.81 GABRA1 (0.50) GABRA1GABRB2TSHRALDH1A1CLCN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008013319-A9 SILICONE RUBBER COMPOSITION, METHOD FOR PRODUCING THE SAME, HEAT-CURABLE SILICONE RUBBER COMPOSITION, AND RUBBER SEALING PART FOR AUTOMOBILES DOW CORNING TORAY CO LTD (JP) 2008-07-24 WO disclosed
WO-2008013319-A1 SILICONE RUBBER COMPOSITION, METHOD FOR PRODUCING THE SAME, HEAT-CURABLE SILICONE RUBBER COMPOSITION, AND RUBBER SEALING PART FOR AUTOMOBILES DOW CORNING TORAY CO., LTD. (JP) 2008-01-31 WO disclosed